element:
Mo
lattice type:
sc
modelname:
SNAP_ZuoChenLi_2019quadratic_Mo__MO_692442138123_000

Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms

Optimization terminated successfully.
         Current function value: -5.342323
         Iterations: 27
         Function evaluations: 55
{'lattice_constant': 2.9755557402968407, 'cohesive_energy': 5.342322529898197, 'element': 'Mo', 'species': 'Mo', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 27, 'func_calls': 55, 'warnflag': 0, 'repeat': 0}